GENERAL INFO

Title: Imine_(3)
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/215778
Program: Gaussian 16 ES64L-G16RevA.03
Author: Habets, Thomas
Formula: C8H17NO
Calculation type: Geometry optimization Minimum
Method(s): RwB97XD - Grimme-D2

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -445.052256955 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.8181 3.1291 0.4571 3.6477

Quadrupole moment

XX YY ZZ XY XZ YZ
-64.2769 -66.6845 -64.4459 5.3939 1.2082 -0.5683

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